3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H31N5O — CID 53188596

IUPAC3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCNc1cc(N2CCC(CCC(=O)N3CCCC3)CC2)ncn1
InChIInChI=1S/C19H31N5O/c1-2-9-20-17-14-18(22-15-21-17)23-12-7-16(8-13-23)5-6-19(25)24-10-3-4-11-24/h14-16H,2-13H2,1H3,(H,20,21,22)
InChIKeyKXHZIHWBMOPBRJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.92
Rot. Bonds7

About 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 53188596) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID53188596
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCNc1cc(N2CCC(CCC(=O)N3CCCC3)CC2)ncn1
InChIInChI=1S/C19H31N5O/c1-2-9-20-17-14-18(22-15-21-17)23-12-7-16(8-13-23)5-6-19(25)24-10-3-4-11-24/h14-16H,2-13H2,1H3,(H,20,21,22)
InChIKeyKXHZIHWBMOPBRJ-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 53188596) is 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is CCCNc1cc(N2CCC(CCC(=O)N3CCCC3)CC2)ncn1.
What is the InChIKey of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KXHZIHWBMOPBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-9-20-17-14-18(22-15-21-17)23-12-7-16(8-13-23)5-6-19(25)24-10-3-4-11-24/h14-16H,2-13H2,1H3,(H,20,21,22).
What are the key properties of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 345.49 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 53188596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).